Trends in the TD-DFT calculations of porphyrin and phthalocyanine analogs

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im August 2014 veröffentlichter wissenschaftlicher Artikel

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wetenschappelijk artikel

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наукова стаття, опублікована в серпні 2014

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Trends in the TD-DFT calculations of porphyrin and phthalocyanine analogs

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Trends in the TD-DFT calculations of porphyrin and phthalocyanine analogs

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Trends in the TD-DFT calculations of porphyrin and phthalocyanine analogs

@en

Trends in the TD-DFT calculations of porphyrin and phthalocyanine analogs

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Trends in the TD-DFT calculations of porphyrin and phthalocyanine analogs

@en

Trends in the TD-DFT calculations of porphyrin and phthalocyanine analogs

@nl

P1476

Trends in the TD-DFT calculations of porphyrin and phthalocyanine analogs

@en

P2093

Justin Stone

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P2860

Electronic structure of reduced symmetry peripheral fused-ring-substituted phthalocyanines.

Synthesis, spectroscopy, and electrochemistry of tetra-tert-butylated tetraazaporphyrins, phthalocyanines, naphthalocyanines, and anthracocyanines, together with molecular orbital calculations.

Application of MCD spectroscopy and TD-DFT to a highly non-planar porphyrinoid ring system. New insights on red-shifted porphyrinoid spectral bands.

Magnetic circular dichroism of porphyrins containing M = Ca, Ni, and Zn. A computational study based on time-dependent density functional theory.

Analysis of the absorption and magnetic circular dichroism spectra of zinc phthalocyanine and the .pi.-cation-radical species [ZnPc(1-)].cntdot.+

P304

630-641

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P31

scholarly article

P356

10.1142/S108842461450045X

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P433

08n09

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P478

http://www.w3.org/2001/XMLSchema#string

P50

Tebello Nyokong

John Mack

P577

2014-08-01T00:00:00Z

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